Geometry & MOs

Info

ID:	274684
PubChem CID:	103811027
Reduced:	BrClOF2N2H6C14 (1)
Stoich.:	ABCD2E2F6G14 (1)
Weight, g/mol:	288.077789
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	6.14
IP(EA), eV:	-9.54(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-cyanophenyl)-1,3,5-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)Cl)NC(=O)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations